N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine

C11H21N3S — CID 79816956

IUPACN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
SMILESCC(C)(C)c1csc(CNCCCN)n1
InChIInChI=1S/C11H21N3S/c1-11(2,3)9-8-15-10(14-9)7-13-6-4-5-12/h8,13H,4-7,12H2,1-3H3
InChIKeyRUETUTWJMRGINN-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.88
Rot. Bonds5

About N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine

N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 79816956) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
PubChem CID79816956
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
SMILESCC(C)(C)c1csc(CNCCCN)n1
InChIInChI=1S/C11H21N3S/c1-11(2,3)9-8-15-10(14-9)7-13-6-4-5-12/h8,13H,4-7,12H2,1-3H3
InChIKeyRUETUTWJMRGINN-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-chloropentan-1-amine
CID 107319889
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 78943710
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide
CID 106237942
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106428545
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592
2-[1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756582
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 78943713
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine (CID 79816956) is N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine is CC(C)(C)c1csc(CNCCCN)n1.
What is the InChIKey of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is RUETUTWJMRGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-11(2,3)9-8-15-10(14-9)7-13-6-4-5-12/h8,13H,4-7,12H2,1-3H3.
What are the key properties of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).